1H, 13C, 15N chemical shift assignments of the HIV-1 gp41 cytoplasmic tail, residues 752-856
SLALIWDDLR SLCLFSYHRL RDLLLIVTRI VELLGRRGWE ALKYWWNLLQ YWSQELKNSA VNLLNATAIA VAEGTDRVIE VLQAAYRAIR HIPRRIRQGL ERILL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.2 % (1134 of 1300) | 83.4 % (561 of 673) | 91.2 % (465 of 510) | 92.3 % (108 of 117) |
Backbone | 92.0 % (578 of 628) | 90.6 % (193 of 213) | 93.2 % (290 of 311) | 91.3 % (95 of 104) |
Sidechain | 84.5 % (653 of 773) | 80.0 % (368 of 460) | 90.7 % (272 of 300) | 100.0 % (13 of 13) |
Aromatic | 92.7 % (102 of 110) | 100.0 % (55 of 55) | 84.0 % (42 of 50) | 100.0 % (5 of 5) |
Methyl | 85.3 % (145 of 170) | 78.8 % (67 of 85) | 91.8 % (78 of 85) |
1. entity 1
SLALIWDDLR SLCLFSYHRL RDLLLIVTRI VELLGRRGWE ALKYWWNLLQ YWSQELKNSA VNLLNATAIA VAEGTDRVIE VLQAAYRAIR HIPRRIRQGL ERILLSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DPC | natural abundance | 25 mM | |
2 | TCEP | natural abundance | 1 mM | |
3 | gp4CTc | natural abundance | 500 uM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium phosphate | natural abundance | 50 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DPC | natural abundance | 25 mM | |
7 | TCEP | natural abundance | 1 mM | |
8 | gp4CTc | [U-99% 15N] | 500 uM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | sodium phosphate | natural abundance | 50 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DPC | natural abundance | 25 mM | |
7 | TCEP | natural abundance | 1 mM | |
8 | gp4CTc | [U-99% 15N] | 500 uM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DPC | natural abundance | 25 mM | |
7 | TCEP | natural abundance | 1 mM | |
8 | gp4CTc | [U-99% 15N] | 500 uM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DPC | natural abundance | 25 mM | |
7 | TCEP | natural abundance | 1 mM | |
8 | gp4CTc | [U-99% 15N] | 500 uM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DPC | natural abundance | 25 mM | |
2 | TCEP | natural abundance | 1 mM | |
3 | gp4CTc | natural abundance | 500 uM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DPC | natural abundance | 25 mM | |
2 | TCEP | natural abundance | 1 mM | |
3 | gp4CTc | natural abundance | 500 uM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance II - 700 MHz triple resonance cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 324 K, pH 6.0, Details 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | DPC | natural abundance | 25 mM | |
12 | TCEP | natural abundance | 1 mM | |
13 | gp4CTc | [U-99% 13C; U-99% 15N] | 500 uM | |
14 | sodium chloride | natural abundance | 50 mM | |
15 | sodium phosphate | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30297_5vwl.nef |
Input source #2: Coordindates | 5vwl.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
------760-------770-------780-------790-------800-------810-------820-------830-------840-------850- SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ----- ERILL ||||| ERILL -----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 105 | 0 | 0 | 100.0 |
Content subtype: combined_30297_5vwl.nef
Assigned chemical shifts
------760-------770-------780-------790-------800-------810-------820-------830-------840-------850- SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGL ||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||| SLALIWDDLRSLCLFSYHR.RDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPR.IRQGL ----- ERILL ||||| ERILL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 673 | 560 | 83.2 |
13C chemical shifts | 510 | 462 | 90.6 |
15N chemical shifts | 130 | 107 | 82.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 213 | 196 | 92.0 |
13C chemical shifts | 210 | 195 | 92.9 |
15N chemical shifts | 104 | 94 | 90.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 460 | 364 | 79.1 |
13C chemical shifts | 300 | 267 | 89.0 |
15N chemical shifts | 26 | 13 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 85 | 60 | 70.6 |
13C chemical shifts | 85 | 74 | 87.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 55 | 100.0 |
13C chemical shifts | 50 | 42 | 84.0 |
15N chemical shifts | 5 | 5 | 100.0 |
Distance restraints
------760-------770-------780-------790-------800-------810-------820-------830-------840-------850- SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGL ||||||||||||||||| | |||| |||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||| SLALIWDDLRSLCLFSY.R.RDLL.IVTRIVELLG.RGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRH.....RQGL ----- ERILL ||||| ERILL
------760-------770-------780-------790-------800-------810-------820-------830-------840-------850- SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGL |||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||| |||||||||||||||||| ||| SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELL....WEALKYWWNLLQYWSQELKNSAVNLLNATAIAVA..TDRVIEVLQAAYRAIRHI....RQG. ------760-------770-------780-------790-------800-------810-------820-------830-------840-------850- ----- ERILL ||| ERI ---
Dihedral angle restraints
------760-------770-------780-------790-------800-------810-------820-------830-------840-------850- SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGL ----- ERILL ||||| ERILL